4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(1-oxidanylidene-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(1-oxidanylidene-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(1-oxo-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1-oxo-1,4-thiazinan-4-yl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1-oxo-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(1-keto-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile hydrochloride Formula: C21H21Cl2N5O2S MolecularWeight: 478.39474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCS(=O)CC4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCS(=O)CC4)Cl.Cl

InChI

InChI=1S/C21H20ClN5O2S.ClH/c1-29-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-30(28)9-7-27;/h2-5,10-11H,6-9,13H2,1H3,(H,24,25);1H